ethyl 3,5-diethylpyridine-2-carboxylate

C12H17NO2 — CID 67884033

IUPACethyl 3,5-diethylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(CC)cc1CC
InChIInChI=1S/C12H17NO2/c1-4-9-7-10(5-2)11(13-8-9)12(14)15-6-3/h7-8H,4-6H2,1-3H3
InChIKeyCEJHZBGBTVFUFI-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.38
Rot. Bonds4

About ethyl 3,5-diethylpyridine-2-carboxylate

ethyl 3,5-diethylpyridine-2-carboxylate (PubChem CID 67884033) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl 3,5-diethylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-diethylpyridine-2-carboxylate
PubChem CID67884033
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl 3,5-diethylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(CC)cc1CC
InChIInChI=1S/C12H17NO2/c1-4-9-7-10(5-2)11(13-8-9)12(14)15-6-3/h7-8H,4-6H2,1-3H3
InChIKeyCEJHZBGBTVFUFI-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-5-ethylpyridine-3-carboxylate
CID 155887465
diethyl 5-(bromomethyl)pyridine-2,3-dicarboxylate
CID 141448737
diethyl 5-propylpyridine-2,3-dicarboxylate
CID 14097634
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
ethyl 2,4,6-triethylbenzoate
CID 12702183
ethyl 2-tert-butyl-5-ethylpyridine-3-carboxylate
CID 116533791
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
ethyl 5-formyl-3-methylpyridine-2-carboxylate
CID 145295306
ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657
ethyl 5-bromo-3-iodopyridine-2-carboxylate
CID 133062271

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-diethylpyridine-2-carboxylate?
The IUPAC name of ethyl 3,5-diethylpyridine-2-carboxylate (CID 67884033) is ethyl 3,5-diethylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 3,5-diethylpyridine-2-carboxylate?
The canonical SMILES for ethyl 3,5-diethylpyridine-2-carboxylate is CCOC(=O)c1ncc(CC)cc1CC.
What is the InChIKey of ethyl 3,5-diethylpyridine-2-carboxylate?
The InChIKey is CEJHZBGBTVFUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-9-7-10(5-2)11(13-8-9)12(14)15-6-3/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl 3,5-diethylpyridine-2-carboxylate?
ethyl 3,5-diethylpyridine-2-carboxylate has a molecular weight of 207.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-diethylpyridine-2-carboxylate is sourced from PubChem (CID 67884033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).